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XDS.INP: Difference between revisions
→MarCDD 225mm @ SLS, BL X06SA: put explanations in
(→MarCDD 225mm @ SLS, BL X06SA: update) |
(→MarCDD 225mm @ SLS, BL X06SA: put explanations in) |
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POLARIZATION_PLANE_NORMAL=0 1 0 | POLARIZATION_PLANE_NORMAL=0 1 0 | ||
=== MarCDD | === MarCDD (e.g. @ SLS, APS, ... ) === | ||
JOB=XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT | JOB=XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT ! XPLAN | ||
! for this experiment: | ! for this experiment: | ||
ORGX=1533 ORGY=1536 | ORGX=1533 ORGY=1536 ! if unknown estimate beam position visually using XDS-Viewer or adxv | ||
DETECTOR_DISTANCE=350 | DETECTOR_DISTANCE=350 | ||
OSCILLATION_RANGE=0.25 | OSCILLATION_RANGE=0.25 | ||
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NAME_TEMPLATE_OF_DATA_FRAMES=../mk/mk04_1_???.img DIRECT TIFF | NAME_TEMPLATE_OF_DATA_FRAMES=../mk/mk04_1_???.img DIRECT TIFF | ||
DATA_RANGE=1 720 | DATA_RANGE=1 720 | ||
SPOT_RANGE=1 360 | SPOT_RANGE=1 360 ! for very accurate geometry determination use half of dataset | ||
BACKGROUND_RANGE=1 10 | BACKGROUND_RANGE=1 10 | ||
SPACE_GROUP_NUMBER=0 | SPACE_GROUP_NUMBER=0 ! 0 if unknown, in that case UNIT_CELL_CONSTANTS do not matter | ||
UNIT_CELL_CONSTANTS= 70 80 90 90 90 90 | UNIT_CELL_CONSTANTS= 70 80 90 90 90 90 | ||
! remove the exclamation | ! remove the exclamation mark in next line if anom signal is expected/present | ||
! FRIEDEL'S_LAW=FALSE | ! FRIEDEL'S_LAW=FALSE | ||
! STRICT_ABSORPTION_CORRECTION=TRUE ! | ! STRICT_ABSORPTION_CORRECTION=TRUE ! usually no need to change - see Tips_and_Tricks in XDSwiki | ||
! parameters with changes wrt default values: | ! parameters with changes wrt default values: | ||
TRUSTED_REGION=0.00 1.35 | TRUSTED_REGION=0.00 1.35 ! take corners into account | ||
VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=8000. 30000. | VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=8000. 30000. | ||
MINIMUM_ZETA=0.05 | MINIMUM_ZETA=0.05 ! integrate reflections close to rotation axis | ||
INCLUDE_RESOLUTION_RANGE=50 0 | INCLUDE_RESOLUTION_RANGE=50 0 | ||
STRONG_PIXEL=6 | STRONG_PIXEL=6 | ||
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DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0 | DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0 | ||
INCIDENT_BEAM_DIRECTION=0 0 1 | INCIDENT_BEAM_DIRECTION=0 0 1 | ||
ROTATION_AXIS=1 0 0 | ROTATION_AXIS=1 0 0 ! at e.g. SERCAT ID-22 this needs to be -1 0 0 | ||
FRACTION_OF_POLARIZATION=0.99 | FRACTION_OF_POLARIZATION=0.99 | ||
POLARIZATION_PLANE_NORMAL=0 1 0 | POLARIZATION_PLANE_NORMAL=0 1 0 | ||